EGR

ethyl 3,4,5-trihydroxybenzoate

Created:2013-02-14
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of EGR

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Toggle HydrogenToggle Labels

Chemical Component Summary

Nameethyl 3,4,5-trihydroxybenzoate
Synonymsethyl gallate
Systematic Name (OpenEye OEToolkits)ethyl 3,4,5-tris(oxidanyl)benzoate
FormulaC9 H10 O5
Molecular Weight198.173
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC)c1cc(O)c(O)c(O)c1
SMILESCACTVS3.370CCOC(=O)c1cc(O)c(O)c(O)c1
SMILESOpenEye OEToolkits1.7.6CCOC(=O)c1cc(c(c(c1)O)O)O
Canonical SMILESCACTVS3.370 CCOC(=O)c1cc(O)c(O)c(O)c1
Canonical SMILESOpenEye OEToolkits1.7.6 CCOC(=O)c1cc(c(c(c1)O)O)O
InChIInChI1.03 InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
InChIKeyInChI1.03 VFPFQHQNJCMNBZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 13250
ChEMBL CHEMBL453196
ChEBI CHEBI:87247
CCDC/CSD PIJHIA01, PIJHIA, ABITAK